N,N'-bis(ethoxycarbonylmethyl)fumaramide | 124926-37-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-bis(ethoxycarbonylmethyl)fumaramide
• 英文别名: N,N'-fumaroyl-bis-glycine diethyl ester；Fumaryldiglycin-diaethylester；N,N'-Fumaroyl-bis-glycin-diaethylester；Fumaryl-bis-aminoessigsaeure-diaethylester；ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
• CAS: 124926-37-0
• 化学式: C₁₂H₁₈N₂O₆
• 分子量: 286.285
• InChiKey: ZFFIRPWRWXEBSV-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis(ethoxycarbonylmethyl)fumaramide 在 sodium hydroxide 作用下， 生成 N,N'-fumaroyl-bis-glycine
  参考文献：
  名称：

  Fischer,E.; Koenigs, Chemische Berichte, 1904, vol. 37, p. 4590

  摘要：

  DOI：
• 作为产物：
  描述：

  反丁烯二酰氯 、 2-胺基乙酸乙酯 以 乙醚 为溶剂， 以32.4%的产率得到N,N'-bis(ethoxycarbonylmethyl)fumaramide
  参考文献：
  名称：

  Phthalocyanines and Related Compounds: XXXVII. Synthesis of Covalent Conjugates of Carboxy-substituted Phthalocyanines with α-Amino Acids

  摘要：

  Methods of synthesis of covalent conjugates of metal complexes of octa-4,5-carboxy- and tetra-4-carboxyphthalocyanine, as well as of octa-6,7-carboxy-2,3-naphthalocyanine with alpha-amino acids, glycine and sarcosine, were developed and certain properties of the products were studied. The prepared conjugates are soluble in organic solvents and water.

  DOI：

  10.1023/b:rugc.0000030404.00492.d1

文献信息

• Bornwater, Recueil des Travaux Chimiques des Pays-Bas, 1917, vol. 36, p. 256
  作者：Bornwater

  DOI：——

  日期：——
• Phthalocyanines and Related Compounds: XXXVII. Synthesis of Covalent Conjugates of Carboxy-substituted Phthalocyanines with α-Amino Acids
  作者：S. A. Mikhalenko、L. I. Solov'eva、E. A. Luk'yanets

  DOI：10.1023/b:rugc.0000030404.00492.d1

  日期：2004.3

  Methods of synthesis of covalent conjugates of metal complexes of octa-4,5-carboxy- and tetra-4-carboxyphthalocyanine, as well as of octa-6,7-carboxy-2,3-naphthalocyanine with alpha-amino acids, glycine and sarcosine, were developed and certain properties of the products were studied. The prepared conjugates are soluble in organic solvents and water.
• Fischer,E.; Koenigs, Chemische Berichte, 1904, vol. 37, p. 4590
  作者：Fischer,E.、Koenigs

  DOI：——

  日期：——